1-butyl-2-ethenyl-pyridin-1-ium; methyl sulfate

Systemtic Name: 1-butyl-2-ethenyl-pyridin-1-ium; methyl sulfate Openeye Name: 1-butyl-2-vinyl-pyridin-1-ium; methyl sulfate CAS Name: 1-butyl-2-ethenylpyridin-1-ium; methyl sulfate IUPAC Name: 1-butyl-2-ethenylpyridin-1-ium; methyl sulfate Traditional Name: 1-butyl-2-vinyl-pyridin-1-ium; methyl sulfate Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1C=C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=CC=CC=C1C=C.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H16N.CH4O4S/c1-3-5-9-12-10-7-6-8-11(12)4-2;1-5-6(2,3)4/h4,6-8,10H,2-3,5,9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1